3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid

C11H15NO5 — CID 103152988

IUPAC3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)c1occc1C)CC(=O)O
InChIInChI=1S/C11H15NO5/c1-7-3-4-17-10(7)11(15)12-6-8(16-2)5-9(13)14/h3-4,8H,5-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyYHFWHNOBZXKGBI-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.81
Rot. Bonds6

About 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid

3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid (PubChem CID 103152988) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
PubChem CID103152988
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)c1occc1C)CC(=O)O
InChIInChI=1S/C11H15NO5/c1-7-3-4-17-10(7)11(15)12-6-8(16-2)5-9(13)14/h3-4,8H,5-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyYHFWHNOBZXKGBI-UHFFFAOYSA-N
XLogP0.81
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
4-[(3-bromo-4-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152922
4-[(4-bromo-3-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152378
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617
3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 103153260
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
3-methoxy-4-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 103153347
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
3-methoxy-4-(pyridine-2-carbonylamino)butanoic acid
CID 103152963

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid (CID 103152988) is 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid is COC(CNC(=O)c1occc1C)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid?
The InChIKey is YHFWHNOBZXKGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-7-3-4-17-10(7)11(15)12-6-8(16-2)5-9(13)14/h3-4,8H,5-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid?
3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103152988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).